Project name: Mb5-11_I18L_I104L_LVLVVF_Lib2_Top1

Chain sequence(s)	A: MQANSGSLEVVEASPTSLQLSWDAFHRYHNGFTHPVRYYRVTYGETGGNSPVQEFTVPGSKSTATLSGLKPGVDYTVTVYAVTWYPRYGYGESGPVSFNYRTELDKPSQ
Selected Chain(s)	A
Distance of aggregation	10 Å
FoldX usage	Yes
Dynamic mode	No
Automated mutations	No

Simulation log

[INFO]       Logger:   Verbosity set to: 2 - [INFO]                                                (00:00:00)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:00)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:00)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:00)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:00)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:00:48)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:48)

• Minimal score value: -2.7126
• Maximal score value: 1.5249
• Average score: -0.7003
• Total score value: -76.3306

The table below lists A3D score for protein residues. Residues with A3D score > 0.0000 are marked by yellow rows.

residue index	residue name	chain	Aggrescan3D score	mutation
1	M	A	0.2396
2	Q	A	-0.9784
3	A	A	0.0000
4	N	A	-1.9787
5	S	A	-1.5928
6	G	A	0.0000
7	S	A	-1.3412
8	L	A	-0.9941
9	E	A	-1.7812
10	V	A	-0.4973
11	V	A	0.3342
12	E	A	-1.3250
13	A	A	-1.1367
14	S	A	-1.4588
15	P	A	-1.7289
16	T	A	-1.1508
17	S	A	-1.1564
18	L	A	0.0000
19	Q	A	-0.9111
20	L	A	0.0000
21	S	A	-1.0047
22	W	A	0.0000
23	D	A	-2.5044
24	A	A	-1.5480
25	F	A	0.0000
26	H	A	-1.2640
27	R	A	0.0000
28	Y	A	0.9223
29	H	A	0.3023
30	N	A	-0.5487
31	G	A	0.1462
32	F	A	1.5249
33	T	A	0.7769
34	H	A	0.1080
35	P	A	-0.3976
36	V	A	-0.9741
37	R	A	-1.5182
38	Y	A	-0.8735
39	Y	A	0.0000
40	R	A	-0.8065
41	V	A	0.0000
42	T	A	-0.6447
43	Y	A	-0.3683
44	G	A	0.0000
45	E	A	-1.3772
46	T	A	-1.1182
47	G	A	-1.1652
48	G	A	-1.3086
49	N	A	-1.5124
50	S	A	-0.8834
51	P	A	-0.3938
52	V	A	0.3178
53	Q	A	-1.2029
54	E	A	-1.8099
55	F	A	-0.7065
56	T	A	-0.1998
57	V	A	-0.3649
58	P	A	-0.9030
59	G	A	-1.1631
60	S	A	-1.0660
61	K	A	-1.5378
62	S	A	-1.0608
63	T	A	-0.7305
64	A	A	0.0000
65	T	A	-0.3624
66	L	A	0.0000
67	S	A	-0.7841
68	G	A	-0.9909
69	L	A	0.0000
70	K	A	-2.3780
71	P	A	-1.9154
72	G	A	-1.1515
73	V	A	-1.1022
74	D	A	-2.0190
75	Y	A	0.0000
76	T	A	-0.7001
77	V	A	0.0000
78	T	A	0.0000
79	V	A	0.0000
80	Y	A	-0.3917
81	A	A	0.0000
82	V	A	0.0000
83	T	A	0.0000
84	W	A	0.6979
85	Y	A	0.0000
86	P	A	-0.4416
87	R	A	-1.1497
88	Y	A	0.6006
89	G	A	0.7007
90	Y	A	1.1576
91	G	A	0.4374
92	E	A	-0.6214
93	S	A	0.0000
94	G	A	-1.0293
95	P	A	-0.6622
96	V	A	0.0000
97	S	A	-0.5712
98	F	A	-0.5764
99	N	A	-1.6398
100	Y	A	-1.4399
101	R	A	-2.3922
102	T	A	0.0000
103	E	A	-1.9259
104	L	A	-0.9959
105	D	A	-2.5718
106	K	A	-2.7126
107	P	A	-1.7870
108	S	A	-1.6382
109	Q	A	-1.6585